2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C26H17ClF4N8O — CID 167066664

About 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066664) has the molecular formula C26H17ClF4N8O and a molecular weight of 568.92 g/mol. Its IUPAC name is 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

• Compound Name: 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• PubChem CID: 167066664
• Molecular Formula: C26H17ClF4N8O
• Molecular Weight: 568.92 g/mol
• Exact Mass: 568.11
• IUPAC Name: 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• SMILES: Nc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1C(F)(F)F
• InChI: InChI=1S/C26H17ClF4N8O/c27-12-1-4-19(38-10-34-36-37-38)14(7-12)11-5-20-15-8-16(15)24(39(20)21(40)6-11)25-33-9-18(35-25)13-2-3-17(32)22(23(13)28)26(29,30)31/h1-7,9-10,15-16,24H,8,32H2,(H,33,35)
• InChIKey: RWRFZMKTXBIGMI-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 120.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.92
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The IUPAC name of 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066664) is 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

What is the SMILES notation for 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The canonical SMILES for 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Nc1ccc(-c2cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1C(F)(F)F.

What is the InChIKey of 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The InChIKey is RWRFZMKTXBIGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF4N8O/c27-12-1-4-19(38-10-34-36-37-38)14(7-12)11-5-20-15-8-16(15)24(39(20)21(40)6-11)25-33-9-18(35-25)13-2-3-17(32)22(23(13)28)26(29,30)31/h1-7,9-10,15-16,24H,8,32H2,(H,33,35).

What are the key properties of 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 568.92 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).